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Molecular dynamics simulations of binary mixtures of methane and hydrogen in zeolite A and a novel zinc phosphate

✍ Scribed by MITCHELL, MARTHA C.; AUTRY, JAMES D.; NENOFF, TINA M.

Book ID
120635067
Publisher
Taylor and Francis Group
Year
2001
Tongue
English
Weight
583 KB
Volume
99
Category
Article
ISSN
0026-8976

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✍ R. Krishna; J. M. van Baten πŸ“‚ Article πŸ“… 2006 πŸ› John Wiley and Sons 🌐 English βš– 446 KB πŸ‘ 1 views

## Abstract Molecular Dynamic (MD) simulations were carried out to determine the Maxwell‐Stefan (M‐S) diffusivities, Đ~i~, and self‐diffusivities, __D__~i,self~, of methane (C1), ethane (C2), and propane (C3) for a variety of molecular loadings, __q__~i~, in three classes of zeolite topologies: (1)